8-(cyclopentylamino)-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(cyclopentylamino)-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(cyclopentylamino)-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(cyclopentylamino)-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(cyclopentylamino)-3-isobutyl-1-methyl-xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c1-15(2)13-27-19-18(20(28)25(3)22(27)29)26(14-16-9-5-4-6-10-16)21(24-19)23-17-11-7-8-12-17/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3,(H,23,24)